N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide

C17H17BrN2O3 — CID 108514525

IUPACN'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-3-23-14-7-4-12(5-8-14)19-16(21)17(22)20-13-6-9-15(18)11(2)10-13/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDLJOFQAKMQRAHN-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.73
Rot. Bonds4

About N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide

N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide (PubChem CID 108514525) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
PubChem CID108514525
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-3-23-14-7-4-12(5-8-14)19-16(21)17(22)20-13-6-9-15(18)11(2)10-13/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDLJOFQAKMQRAHN-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 78784962
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868
(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate
CID 4277992
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide (CID 108514525) is N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
The InChIKey is DLJOFQAKMQRAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-3-23-14-7-4-12(5-8-14)19-16(21)17(22)20-13-6-9-15(18)11(2)10-13/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide has a molecular weight of 377.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 108514525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).